SCHEMBL30922896

SCHEMBL30922896

O=C(O)CCCCc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ DGAT2 Q96PD7 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ KMO O15229 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ PLA2G2A P14555 1/20 0.30
▸ SLC22A12 Q96S37 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30922999 0.97 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922810 0.93 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922724 0.90 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922866 0.89 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27300174 0.89 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922464 0.88 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922777 0.88 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30923020 0.88 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30922816 0.87 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30759031 0.87 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 — — WO disclosed
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